SCHEMBL4071963

SCHEMBL4071963

COc1nc(Cl)cc(C)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.67
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SQOR Q9Y6N5 4/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17164107 0.88 RECQL (0.70) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL2673753 0.81 RECQL (0.71) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL2906353 0.81 RECQL (0.45) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL2908653 0.81 POLB (0.48) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL4071607 0.80 RECQL (0.59) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL5377959 0.80 RECQL (1.00) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL17163957 0.79 RECQL (0.67) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL29496331 0.77 L3MBTL1 (0.57) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL534956 0.77 L3MBTL1 (0.57) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL10074682 0.77 KDM4E (0.46) RECQLPOLBTSHRMAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-10-03 US disclosed
US-20240190869-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2024-06-13 US disclosed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP disclosed
US-11905284-B2 5,7-dihydro-pyrrolo-pyridine derivatives PFIZER INC. (US) 2024-02-20 US disclosed
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2023-06-22 US disclosed
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2023-06-22 US disclosed
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2023-06-22 US disclosed
WO-2018222795-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-06 WO disclosed
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-12-06 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
US-20180002331-A1 5,7-Dihydro-Pyrrolo-Pyridine Derivatives PFIZER INC. (US) 2018-01-04 US disclosed
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240190869-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 RECQL 1281/4885POLB 1809/4885TSHR 2545/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 RECQL 2070/4885POLB 1970/4885TSHR 1217/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 RECQL 2070/4885POLB 1970/4885TSHR 1217/4885
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 RECQL 3534/4885POLB 4143/4885TSHR 4541/4885
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 RECQL 1281/4885POLB 1809/4885TSHR 2545/4885
US-20180002331-A1 5,7-Dihydro-Pyrrolo-Pyridine Derivatives CHRM1, CHRM5, CHRM2 RECQL 1281/4885POLB 1809/4885TSHR 2545/4885
US-11905284-B2 5,7-dihydro-pyrrolo-pyridine derivatives CHRM1, CHRM5, CHRM2 RECQL 1281/4885POLB 1809/4885TSHR 2545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.